4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)butanamide

Systemtic Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)butanamide Openeye Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(2-pyridyl)ethyl]butanamide CAS Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(2-pyridinyl)ethyl]butanamide IUPAC Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-pyridin-2-ylethyl)butanamide Traditional Name: 4-[[5-(4-nitrophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-[2-(2-pyridyl)ethyl]butyramide Formula: C25H24N6O3S MolecularWeight: 488.56146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCCCC(=O)NCCC3=CC=CC=N3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H24N6O3S/c32-23(27-17-15-20-7-4-5-16-26-20)10-6-18-35-25-29-28-24(30(25)21-8-2-1-3-9-21)19-11-13-22(14-12-19)31(33)34/h1-5,7-9,11-14,16H,6,10,15,17-18H2,(H,27,32)